Vitas-M small molecule compound
N-(3-bromobenzyl)-2-[6-methyl-3-(2-methylpropyl)-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide
Catalog ID
STL111685
SMILES CSc1nc2cc(n(c2c(=O)n1CC(C)C)CC(=O)NCc1cccc(c1)Br)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H25BrN4O2S MW 477.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN4O2S/c1-13(2)11-26-20(28)19-17(24-21(26)29-4)8-14(3)25(19)12-18(27)23-10-15-6-5-7-16(22)9-15/h5-9,13H,10-12H2,1-4H3,(H,23,27)InChIKey
HFCIZSCERGZOBP-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1CC(=O)NCC3=CC(=CC=C3)Br)C(=O)N(C(=N2)SC)CC(C)C
InChI=1SC21H25BrN4O2Sc113(2)112620(28)1917(2421(26)294)814(3)25(19)1218(27)23101565716(22)915h5913H1012H214H3(H2327)
MFCD20746566
N((3bromophenyl)methyl)2(6methyl3(2methylpropyl)2methylsulfanyl4oxopyrrolo(32d)pyrimidin5yl)acetamide
N(3bromobenzyl)2(6methyl3(2methylpropyl)2(methylsulfanyl)4oxo34dihydro5Hpyrrolo(32d)pyrimidin5yl)acetamide
ZINC000067320147
ZINC67320147
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